2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole

C116H156B2Br2N4O8 — CID 160526682

About 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole

2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole (PubChem CID 160526682) has the molecular formula C116H156B2Br2N4O8 and a molecular weight of 1915.98 g/mol. Its IUPAC name is 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole.

Molecular Properties

• Compound Name: 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole
• PubChem CID: 160526682
• Molecular Formula: C116H156B2Br2N4O8
• Molecular Weight: 1915.98 g/mol
• Exact Mass: 1913.05
• IUPAC Name: 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole
• SMILES: CC(C)(C)OC(=O)NCCCCC1(C)c2cc(Br)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCn1c2c(c3ccc(B4OC(C)(C)C(C)(C)O4)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.CCCCn1c2c(c3ccc(C)cc31)C(CCCC)(CCCC)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(C)(CCCCNC(=O)OC(C)(C)C)c1cc(C)ccc1-2
• InChI: InChI=1S/C33H45BBrNO2.C29H39BBrNO4.C29H39N.C25H33NO2/c1-8-11-18-33(19-12-9-2)27-22-24(35)15-17-25(27)30-29(33)26-16-14-23(21-28(26)36(30)20-13-10-3)34-37-31(4,5)32(6,7)38-34;1-26(2,3)34-25(33)32-16-10-9-15-29(8)23-17-19(30-35-27(4,5)28(6,7)36-30)11-13-21(23)22-14-12-20(31)18-24(22)29;1-6-9-16-29(17-10-7-2)25-19-21(4)12-14-23(25)28-27(29)24-15-13-22(5)20-26(24)30(28)18-11-8-3;1-17-9-11-19-20-12-10-18(2)16-22(20)25(6,21(19)15-17)13-7-8-14-26-23(27)28-24(3,4)5/h14-17,21-22H,8-13,18-20H2,1-7H3;11-14,17-18H,9-10,15-16H2,1-8H3,(H,32,33);12-15,19-20H,6-11,16-18H2,1-5H3;9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,27)
• InChIKey: QUZLKAZHXPCTBI-UHFFFAOYSA-N
• XLogP: 30.87
• TPSA: 123.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 30
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1915.98
LogP ≤ 5	30.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole?

The IUPAC name of 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole (CID 160526682) is 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole.

What is the SMILES notation for 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole?

The canonical SMILES for 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole is CC(C)(C)OC(=O)NCCCCC1(C)c2cc(Br)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCn1c2c(c3ccc(B4OC(C)(C)C(C)(C)O4)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.CCCCn1c2c(c3ccc(C)cc31)C(CCCC)(CCCC)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(C)(CCCCNC(=O)OC(C)(C)C)c1cc(C)ccc1-2.

What is the InChIKey of 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole?

The InChIKey is QUZLKAZHXPCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45BBrNO2.C29H39BBrNO4.C29H39N.C25H33NO2/c1-8-11-18-33(19-12-9-2)27-22-24(35)15-17-25(27)30-29(33)26-16-14-23(21-28(26)36(30)20-13-10-3)34-37-31(4,5)32(6,7)38-34;1-26(2,3)34-25(33)32-16-10-9-15-29(8)23-17-19(30-35-27(4,5)28(6,7)36-30)11-13-21(23)22-14-12-20(31)18-24(22)29;1-6-9-16-29(17-10-7-2)25-19-21(4)12-14-23(25)28-27(29)24-15-13-22(5)20-26(24)30(28)18-11-8-3;1-17-9-11-19-20-12-10-18(2)16-22(20)25(6,21(19)15-17)13-7-8-14-26-23(27)28-24(3,4)5/h14-17,21-22H,8-13,18-20H2,1-7H3;11-14,17-18H,9-10,15-16H2,1-8H3,(H,32,33);12-15,19-20H,6-11,16-18H2,1-5H3;9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,27).

What are the key properties of 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole?

2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole has a molecular weight of 1915.98 g/mol, XLogP of 30.87, 30 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole is sourced from PubChem (CID 160526682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).